N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide

C19H21NO4 — CID 30715668

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21NO4/c1-12-6-13(2)14(3)17(7-12)22-10-19(21)20-9-15-4-5-16-18(8-15)24-11-23-16/h4-8H,9-11H2,1-3H3,(H,20,21)
InChIKeyUXLJXNXXVQCEMB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 30715668) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID30715668
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21NO4/c1-12-6-13(2)14(3)17(7-12)22-10-19(21)20-9-15-4-5-16-18(8-15)24-11-23-16/h4-8H,9-11H2,1-3H3,(H,20,21)
InChIKeyUXLJXNXXVQCEMB-UHFFFAOYSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 2582175
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone
CID 2936175
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92676497
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 36568354
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110767985
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 32511589

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 30715668) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is UXLJXNXXVQCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-6-13(2)14(3)17(7-12)22-10-19(21)20-9-15-4-5-16-18(8-15)24-11-23-16/h4-8H,9-11H2,1-3H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 30715668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).